2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]ethanol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(6-methyl-3-pyridinyl)propan-2-ol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol

C62H69ClF3N9O3 — CID 160754084

About 2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]ethanol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(6-methyl-3-pyridinyl)propan-2-ol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol

2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]ethanol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(6-methyl-3-pyridinyl)propan-2-ol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol (PubChem CID 160754084) has the molecular formula C62H69ClF3N9O3 and a molecular weight of 1080.74 g/mol. Its IUPAC name is 2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]ethanol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(6-methyl-3-pyridinyl)propan-2-ol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol.

Molecular Properties

• Compound Name: 2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]ethanol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(6-methyl-3-pyridinyl)propan-2-ol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol
• PubChem CID: 160754084
• Molecular Formula: C62H69ClF3N9O3
• Molecular Weight: 1080.74 g/mol
• Exact Mass: 1079.52
• IUPAC Name: 2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]ethanol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(6-methyl-3-pyridinyl)propan-2-ol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol
• SMILES: CN1CCc2c(c3cc(Cl)ccc3n2CC(O)c2ccc(C(F)(F)F)nc2)C1.Cc1ccc2c(c1)c1c(n2CC(C)(O)c2ccc(C)nc2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(O)c2cccnc2)CCN(C)C1
• InChI: InChI=1S/C22H27N3O.C20H19ClF3N3O.C20H23N3O/c1-15-5-8-20-18(11-15)19-13-24(4)10-9-21(19)25(20)14-22(3,26)17-7-6-16(2)23-12-17;1-26-7-6-17-15(10-26)14-8-13(21)3-4-16(14)27(17)11-18(28)12-2-5-19(25-9-12)20(22,23)24;1-14-5-6-18-16(10-14)17-12-22(2)9-7-19(17)23(18)13-20(24)15-4-3-8-21-11-15/h5-8,11-12,26H,9-10,13-14H2,1-4H3;2-5,8-9,18,28H,6-7,10-11H2,1H3;3-6,8,10-11,20,24H,7,9,12-13H2,1-2H3
• InChIKey: RXEVILGMCLQSCM-UHFFFAOYSA-N
• XLogP: 11.04
• TPSA: 123.87 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1080.74
LogP ≤ 5	11.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]ethanol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(6-methyl-3-pyridinyl)propan-2-ol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol?

The IUPAC name of 2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]ethanol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(6-methyl-3-pyridinyl)propan-2-ol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol (CID 160754084) is 2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]ethanol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(6-methyl-3-pyridinyl)propan-2-ol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol.

What is the SMILES notation for 2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]ethanol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(6-methyl-3-pyridinyl)propan-2-ol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol?

The canonical SMILES for 2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]ethanol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(6-methyl-3-pyridinyl)propan-2-ol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol is CN1CCc2c(c3cc(Cl)ccc3n2CC(O)c2ccc(C(F)(F)F)nc2)C1.Cc1ccc2c(c1)c1c(n2CC(C)(O)c2ccc(C)nc2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(O)c2cccnc2)CCN(C)C1.

What is the InChIKey of 2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]ethanol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(6-methyl-3-pyridinyl)propan-2-ol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol?

The InChIKey is RXEVILGMCLQSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O.C20H19ClF3N3O.C20H23N3O/c1-15-5-8-20-18(11-15)19-13-24(4)10-9-21(19)25(20)14-22(3,26)17-7-6-16(2)23-12-17;1-26-7-6-17-15(10-26)14-8-13(21)3-4-16(14)27(17)11-18(28)12-2-5-19(25-9-12)20(22,23)24;1-14-5-6-18-16(10-14)17-12-22(2)9-7-19(17)23(18)13-20(24)15-4-3-8-21-11-15/h5-8,11-12,26H,9-10,13-14H2,1-4H3;2-5,8-9,18,28H,6-7,10-11H2,1H3;3-6,8,10-11,20,24H,7,9,12-13H2,1-2H3.

What are the key properties of 2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]ethanol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(6-methyl-3-pyridinyl)propan-2-ol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol?

2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]ethanol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(6-methyl-3-pyridinyl)propan-2-ol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol has a molecular weight of 1080.74 g/mol, XLogP of 11.04, 9 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]ethanol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(6-methyl-3-pyridinyl)propan-2-ol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol is sourced from PubChem (CID 160754084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).